SCHEMBL16578293

SCHEMBL16578293

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC(=O)[C@@H](N)CCCNC(=O)OCc2ccccc2)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 6/20 0.68
▸ AHCY P23526 2/20 0.55
▸ PRKACA P17612 2/20 0.54
▸ CARM1 Q86X55 2/20 0.53
▸ NNMT P40261 1/20 0.53
▸ WDR5 P61964 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RBBP5 Q15291 1/20 0.51
▸ DPY30 Q9C005 1/20 0.51
▸ ASH2L Q9UBL3 1/20 0.51
▸ ADORA1 P30542 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16574770 0.86 DOT1L (0.60) DOT1LAHCYPRKACA
SCHEMBL29540124 0.82 DOT1L (0.61) DOT1LAHCYPRKACACARM1NNMT
SCHEMBL23056492 0.82 DOT1L (0.51) DOT1LPRKACACARM1ADORA1
SCHEMBL16287415 0.81 DOT1L (0.50) DOT1L
SCHEMBL16287441 0.81 DOT1L (0.50) DOT1L
SCHEMBL16287434 0.81 DOT1L (0.50) DOT1L
SCHEMBL16287421 0.81 DOT1L (0.50) DOT1L
SCHEMBL16578333 0.81 DOT1L (0.50) DOT1L
SCHEMBL16287429 0.81 DOT1L (0.50) DOT1L
SCHEMBL23056483 0.80 DOT1L (0.51) DOT1LPRKACAADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R DOT1L 4554/4885AHCY 3672/4885PRKACA 987/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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